General Information of the Compound
| Compound ID |
CP0879763
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| Compound Name |
(E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-one
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| Formula |
C14H15NO
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| Molecular Weight |
213.28
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| Canonical SMILES |
CC1=C/C(=N\C(C)C)c2ccccc2C1=O
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| InChI |
InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3/b15-13+
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| InChIKey |
RDPKFQFAMQRHBW-FYWRMAATSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT05447, Tryptophan 2,3-dioxygenase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000784 | P815B | Mus musculus (Mouse) | 1 |
| 1 |
LD50 = 15000 nM
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TI
LI
LO
TS
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